vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 02 
  07:49:26 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.32000000      0.73000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            7.66310000       0.00000000       0.00000000 
            0.00000000      19.66310000       0.00000000 
            0.00000000       0.00000000      10.83726000 
    
       1632.96160543 
    
            0.13049549       0.00000000       0.00000000 
            0.00000000       0.05085668       0.00000000 
            0.00000000       0.00000000       0.09227425 
    
   
   
           0.92301910       0.52802133       0.10615418 
           0.85745796       0.23483469       0.42955959 
           0.13383577       0.45026288       0.19720108 
           0.09946814       0.28683495       0.33706177 
           0.82164509       0.33308695       0.02692046 
           0.95850031       0.42258736       0.51881450 
           0.08515501       0.33494048       0.13868355 
           0.19945347       0.40643530       0.38968596 
           0.83378685       0.54697558       0.52123443 
           0.77470528       0.24469964       0.88166883 
           0.06018785       0.51101504       0.65360546 
           0.02167998       0.20699207       0.76399332 
           0.90333420       0.31189280       0.59581085 
           0.86418551       0.44360932       0.95283488 
           0.14359356       0.32449663       0.73656538 
           0.10035471       0.43538367       0.81882245 
           0.41477665       0.47026310       0.12063077 
           0.37329905       0.28295416       0.42318363 
           0.68782844       0.47767854       0.20402164 
           0.64678723       0.31356015       0.34413035 
           0.33239318       0.32199264       0.01443203 
           0.43501819       0.43613226       0.52032777 
           0.56994340       0.35211135       0.14637842 
           0.69407816       0.43042059       0.40236762 
           0.30878252       0.55096837       0.54022634 
           0.27965770       0.23458178       0.86999083 
           0.59480049       0.51933753       0.65013020 
           0.53932262       0.20996586       0.75447003 
           0.40051918       0.32699252       0.62145256 
           0.36895426       0.43019679       0.92113144 
           0.66959612       0.32804187       0.72905068 
           0.62893708       0.43920042       0.81291887 
           0.64826676       0.68707974       0.62801666 
           0.63507481       0.69386843       0.56300059 
           0.44706164       0.58125736       0.65741509 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          17 
          18 
          19 
          20 
          21 
          22 
          23 
          24 
          25 
          26 
          27 
          28 
          29 
          30 
          31 
          32 
          33 
          34 
          35 
  
 
 
  
          2        1        2 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       1.00000000       0.00000000 
         0.00000000       0.00000000       0.50000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
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          0.00000000       0.00000000       0.50000000 
          0.50000000       0.00000000       0.50000000 
  
  
          0.25000000 
          0.25000000 
          0.25000000 
          0.25000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       605.39200000
         0.00001000
       38
       10
      105
       -1
       -1
       136.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -0.00050000
      -100
         2
     F  
   
   
         0
         2
         1
   
   
         2
     F  
          1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
         -1.00000000
     F  
          0.00000000      0.00000000      1.00000000
     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
       200
        -5
         2
        400.00000000
    
      T  
      F  
           0.00000000
           0.00000002
           0.30000000
          4
           0.40000000
    
   
   
          0.40000000
          1.00000000
          0.10000000
          1.60000000
          1.00000000
    
          4
      F  
        -45
         100.00000000
          1
          1
          5
    
   
   
     F  
     F  
         0
          1.00000000
       -100.00000000   -100.00000000   -100.00000000
          0.00000000
   
  
  
       40
       96
       54
       80
      192
      108
    F  
  
  
        0
       -1
        0
        2
         0.00000000
        -0.02000000
        0
         0.50000000
        -3.00000000
         1.00000000
  
  
         0.00010000
         0.00010000
        1
        1
      256
        16.00000000
  
  
        2
         0.00001000
  
  
        0
         1.11000000      0.32000000      0.73000000
      301
        10.00000000
       -10.00000000
         0.00000000
  
  
        1
    F  
    F  
    F  
    F  
    F  
    F  
    F  
    F  
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
  
  
        3
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000      1.00000000     16.00000000
         0.00000000      0.00000000      0.00000000
         1.00000000      1.00000000      1.00000000
    T  
  
   T  
   F  
       0
   F  
       0
  
   --
        1
    F  
   
    F  
    F  
    F  
    F  
    F  
        -1.00000000
        0
        0
         0.00000000
         0.00000000
         0.00000000
         1.00000000
         1.00000000
         1.00000000
         1.00000000
        1
        1
        1
    F  
    F  
    F  
        0
        0
    F  
         0.00000000
         0.00000000
        0
  
  
    F  
        -0.84910000
         0.12340000
         1.00000000
         0.00000000
  
  
        0
        27.99362752
         1.00000000
  
  
    F  
    F  
    F  
    F  
        0
         0.10000000
        -1.00000000
         0.00200000
        -0.10000000
         0.00000000
         0.00000000      0.00000000      0.00000000
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    F  
         0.00000000      0.00000000      0.00000000
    T  
    F  
    F  
    F  
    T  
        0
         0.00000000      0.00000000      0.00000000
         0.00000000      0.00000000      0.00000000
  
  
    F  
    F  
    F  
    F  
    T  
        0
       -1     0     0     0
    F  
    F  
    F  
    F  
    F  
    F  
        2
    F  
    F  
    F  
    F  
    F  
    F  
        -2.00000000
        -2.00000000
        -1.00000000
    F  
       -1
         0.00000000
        0
        0
       -1
       -1
       -1
      200
        1
        3
        4
        0
       -30.00000000
       -30.00000000
      -200.00000000
        0
        -0.10000000
    F  
    F  
    F  
    F  
    F  
    F  
    F  
        1
        1
        1
     2800
        0
       -1
       -1
         0.80000001
         1.00000000
  
  
         0.00000000
         0.00000000      0.00000000      0.00000000
         0.00000000
         0.00000000
         0.00000000
  
  
    F  
  
 
 
        35 
         3 
  
   ion
   element
   atomtype
   
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    H    2
    H    2
    O    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      32Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       2H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
   
  
 
 
  
   
           7.66310000       0.00000000       0.00000000 
           0.00000000      19.66310000       0.00000000 
           0.00000000       0.00000000      10.83726000 
   
      1632.96160543 
   
           0.13049549       0.00000000       0.00000000 
           0.00000000       0.05085668       0.00000000 
           0.00000000       0.00000000       0.09227425 
   
  
  
          0.92301910       0.52802133       0.10615418 
          0.85745796       0.23483469       0.42955959 
          0.13383577       0.45026288       0.19720108 
          0.09946814       0.28683495       0.33706177 
          0.82164509       0.33308695       0.02692046 
          0.95850031       0.42258736       0.51881450 
          0.08515501       0.33494048       0.13868355 
          0.19945347       0.40643530       0.38968596 
          0.83378685       0.54697558       0.52123443 
          0.77470528       0.24469964       0.88166883 
          0.06018785       0.51101504       0.65360546 
          0.02167998       0.20699207       0.76399332 
          0.90333420       0.31189280       0.59581085 
          0.86418551       0.44360932       0.95283488 
          0.14359356       0.32449663       0.73656538 
          0.10035471       0.43538367       0.81882245 
          0.41477665       0.47026310       0.12063077 
          0.37329905       0.28295416       0.42318363 
          0.68782844       0.47767854       0.20402164 
          0.64678723       0.31356015       0.34413035 
          0.33239318       0.32199264       0.01443203 
          0.43501819       0.43613226       0.52032777 
          0.56994340       0.35211135       0.14637842 
          0.69407816       0.43042059       0.40236762 
          0.30878252       0.55096837       0.54022634 
          0.27965770       0.23458178       0.86999083 
          0.59480049       0.51933753       0.65013020 
          0.53932262       0.20996586       0.75447003 
          0.40051918       0.32699252       0.62145256 
          0.36895426       0.43019679       0.92113144 
          0.66959612       0.32804187       0.72905068 
          0.62893708       0.43920042       0.81291887 
          0.64826676       0.68707974       0.62801666 
          0.63507481       0.69386843       0.56300059 
          0.44706164       0.58125736       0.65741509 
  
 
 
  
      12.28   12.30
      13.74   13.76
   
         24.76344702 
       9054.47860480 
     -12334.86530312 
       -264.03378145 
       3167.08814863 
      -2605.71786812 
         -0.00916702 
       -196.91882314 
       3755.32434067 
        600.10959827 
        600.11876529 
        600.11265394 
   
  
  
      15.65   15.68
      15.65   15.69
   
        -88.51160965 
        -88.50763970 
        -88.51028633 
   
  
  
      14.77   14.80
      14.77   14.81
   
       -162.22605459 
       -162.20829144 
       -162.22013354 
   
  
  
      15.45   15.48
      15.46   15.48
   
       -165.25631094 
       -165.23698450 
       -165.24986879 
   
  
  
      16.45   16.46
      16.61   16.62
   
       -165.40835138 
       -165.38903270 
       -165.40191182 
   
  
  
      12.39   12.41
      13.99   14.02
   
       -138.12172366 
       -138.11318141 
       -138.11887625 
   
  
  
      13.47   13.49
      14.39   14.41
   
       -170.58871978 
       -170.56682043 
       -170.58142000 
   
  
  
      16.44   16.46
      17.35   17.37
   
      -3334.57983210 
      -3334.57157774 
      -3334.57708065 
   
  
  
      14.07   14.10
      15.02   15.04
   
       -135.12737640 
       -135.11381454 
       -135.12285578 
   
  
  
      14.33   14.35
      15.20   15.22
   
       -142.69324261 
       -142.66885369 
       -142.68511297 
   
  
  
      14.41   14.43
      15.24   15.26
   
       -147.90850577 
       -147.88337771 
       -147.90012975 
   
  
  
      13.73   13.76
      14.66   14.69
   
       -146.67182036 
       -146.65823439 
       -146.66729171 
   
  
  
      13.78   13.80
      14.65   14.67
   
       -154.44532381 
       -154.44439322 
       -154.44501362 
   
  
  
      13.50   13.52
      14.40   14.42
   
       -163.92178445 
       -163.92582719 
       -163.92313203 
   
  
  
      14.28   14.34
      15.19   15.25
   
       -167.06873046 
       -167.09087616 
       -167.07611236 
   
  
  
      13.07   13.10
      13.99   14.01
   
       -170.98992962 
       -171.01892468 
       -170.99959464 
   
  
  
      14.11   14.13
      14.92   14.94
   
       -172.76220287 
       -172.78951062 
       -172.77130545 
   
  
  
      13.22   13.25
      14.03   14.06
   
       -173.18317838 
       -173.21006496 
       -173.19214057 
   
  
  
      13.81   13.83
      14.61   14.63
   
       -173.27373215 
       -173.30028747 
       -173.28258393 
   
  
  
      13.97   14.01
      14.81   14.85
   
       -172.99244135 
       -173.01897368 
       -173.00128546 
   
  
  
      14.60   14.62
      15.46   15.48
   
       -173.18665381 
       -173.21320653 
       -173.19550472 
   
  
  
      12.67   12.70
      13.57   13.60
   
       -167.27085941 
       -167.23527985 
       -167.25899956 
   
  
  
      12.93   12.95
      13.81   13.83
   
       -169.55678175 
       -169.58327117 
       -169.56561155 
   
  
  
      12.99   13.01
      13.97   13.99
   
       -173.01295004 
       -173.03946295 
       -173.02178767 
   
  
  
      15.98   16.01
      16.92   16.94
   
       -284.75481235 
       -284.76321013 
       -284.75761161 
   
  
  
      13.17   13.19
      14.19   14.21
   
       -165.01554503 
       -164.98764144 
       -165.00624383 
   
  
  
      13.89   13.92
      14.82   14.85
   
       -172.94702077 
       -172.97313422 
       -172.95572525 
   
  
  
      14.44   14.46
      15.35   15.37
   
       -173.90516821 
       -173.93131157 
       -173.91388266 
   
  
  
      15.20   15.22
      16.45   16.47
   
      -1830.29991537 
      -1830.28611841 
      -1830.29531638 
   
  
  
       8.79    8.82
      10.48   10.51
   
       -167.35562906 
       -167.38109648 
       -167.36411820 
   
  
  
       9.08    9.13
      10.15   10.19
   
       -173.06331450 
       -173.08952975 
       -173.07205292 
   
  
  
       7.90    7.92
       8.74    8.76
   
       -173.56408226 
       -173.59042602 
       -173.57286352 
   
  
  
       9.71    9.73
      10.48   10.50
   
       -173.88139041 
       -173.90777406 
       -173.89018496 
   
  
  
       5.99    6.03
       6.83    6.86
   
       -168.38262906 
       -168.40913450 
       -168.39146421 
   
  
  
       5.86    5.88
       6.78    6.81
   
       -178.92771987 
       -178.95422999 
       -178.93655658 
   
  
  
       5.66    5.68
       6.43    6.45
   
       -177.91887823 
       -177.94527930 
       -177.92767859 
   
  
  
       5.64    5.66
       6.40    6.42
   
       -174.24393578 
       -174.27031496 
       -174.25272884 
   
  
  
       5.99    6.01
       6.75    6.77
   
       -174.27243035 
       -174.29879335 
       -174.28121802 
   
  
  
       5.79    5.80
       6.55    6.57
   
       -179.10221991 
       -179.12861221 
       -179.11101734 
   
  
  
       6.12    6.13
       6.89    6.90
   
       -180.72788669 
       -180.75429149 
       -180.73668829 
   
  
  
       5.26    5.28
       6.03    6.05
   
       -175.73200436 
       -175.75836748 
       -175.74079206